4-[[2-(4-bromophenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide

C22H16BrF3N2O3 — CID 28639192

IUPAC4-[[2-(4-bromophenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(COc1ccc(Br)cc1)Nc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C22H16BrF3N2O3/c23-16-6-10-19(11-7-16)31-13-20(29)27-17-8-4-14(5-9-17)21(30)28-18-3-1-2-15(12-18)22(24,25)26/h1-12H,13H2,(H,27,29)(H,28,30)
InChIKeyDYBMQRWLKHPBPE-UHFFFAOYSA-N
MW493.28 g/mol
LogP5.74
Rot. Bonds6

About 4-[[2-(4-bromophenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide

4-[[2-(4-bromophenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 28639192) has the molecular formula C22H16BrF3N2O3 and a molecular weight of 493.28 g/mol. Its IUPAC name is 4-[[2-(4-bromophenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-[[2-(4-bromophenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID28639192
Molecular FormulaC22H16BrF3N2O3
Molecular Weight493.28 g/mol
Exact Mass492.03
IUPAC Name4-[[2-(4-bromophenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(COc1ccc(Br)cc1)Nc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C22H16BrF3N2O3/c23-16-6-10-19(11-7-16)31-13-20(29)27-17-8-4-14(5-9-17)21(30)28-18-3-1-2-15(12-18)22(24,25)26/h1-12H,13H2,(H,27,29)(H,28,30)
InChIKeyDYBMQRWLKHPBPE-UHFFFAOYSA-N
XLogP5.74
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.28
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1177163
4-bromo-N-[3-(trifluoromethyl)phenyl]benzamide
CID 788568
4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide
CID 166195280
N-(3-acetamido-4-fluorophenyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 55532368
N-(3-chloro-4-methoxyphenyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 1191704
N-[3-(cyanomethoxy)phenyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 55800391
3-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26167940
3-[(4-bromobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54791205
3-[[2-(4-cyanophenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 16552434
N-cyclohexyl-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 2194102
N-(2,5-dimethoxyphenyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 55345310
N-(2-ethyl-6-methylphenyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 112762733

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-bromophenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-[[2-(4-bromophenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 28639192) is 4-[[2-(4-bromophenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-[[2-(4-bromophenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-[[2-(4-bromophenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide is O=C(COc1ccc(Br)cc1)Nc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-[[2-(4-bromophenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is DYBMQRWLKHPBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrF3N2O3/c23-16-6-10-19(11-7-16)31-13-20(29)27-17-8-4-14(5-9-17)21(30)28-18-3-1-2-15(12-18)22(24,25)26/h1-12H,13H2,(H,27,29)(H,28,30).
What are the key properties of 4-[[2-(4-bromophenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
4-[[2-(4-bromophenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 493.28 g/mol, XLogP of 5.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-bromophenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 28639192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).